CHEMBL3338857


SMILES COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccccn2)nc1OC
InChIKey FZPFVKGNKBZUEW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 441.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 5.1 5.1 5.1 ChEMBL
OX2 OX2R Human Orexin A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.33 5.33 5.33 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.44 7.44 7.44 ChEMBL